Chemical ID: 4343998

CC(C)CC(C(=O)O)NC(c1ccccc1)(c2ccccc2)c3ccccc3
Chemical ID:
4343998
Name [?]:
4-methyl-2-tritylamino-pentanoic acid
SMILES [?]:
CC(C)CC(C(=O)O)NC(c1ccccc1)(c2ccccc2)c3ccccc3
InChi [?]:
InChI=1/C25H27NO2/c1-19(2)18-23(24(27)28)26-25(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,19,23,26H,18H2,1-2H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,3,14,20,26,13,15,19,21,25,27,12,16,18,22,24,28,4,2,11,17,23,5,6,10,9,7,8/E:(1,2)(3,4,5)(6,7,8,9,10,11)(12,13,14,15,16,17)(20,21,22)(27,28)/rA:28cCCCCCCOONCCCCCCCCCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s5;s9;s10;s11;d12;s13;d14;d11s15;s10;s17;d18;s19;d20;d17s21;s10;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H27NO2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:10.8455
Area:535.709
Solvation:-2.54721
Coulombic:-42.6851
Bond Count [?]
All:30
Single:20
Double:10
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:373.487
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:6.42
LogP (Chemaxon):4.68

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue